相关论文: Spectral Element Methods for Liquid Metal Reactors…
As semiconductor devices scale to new dimensions, the materials and designs become more dependent on atomic details. NEMO5 is a nanoelectronics modeling package designed for comprehending the critical multi-scale, multi-physics phenomena…
A data-driven surrogate framework to accelerate particle-resolved modelling of quasi-dilute suspensions of rigid, non-spherical particles in Stokes flow is introduced. A regularized-Stokeslet boundary element method (BEM) is implemented to…
We present a new general relativistic (GR) code for hydrodynamic supernova simulations with neutrino transport in spherical and azimuthal symmetry (1D/2D). The code is a combination of the CoCoNuT hydro module, which is a Riemann-solver…
Within the MNPBEM toolbox, we show how to simulate electron energy loss spectroscopy (EELS) of plasmonic nanoparticles using a boundary element method approach. The methodology underlying our approach closely follows the concepts developed…
We introduce a first-ever algorithm for the reconstruction of multiple showers from the data collected with electromagnetic (EM) sampling calorimeters. Such detectors are widely used in High Energy Physics to measure the energy and…
Nonlinearities and instabilities in mechanical structures have shown great promise for embedding advanced functionalities. However, simulating structures subject to nonlinearities can be challenging due to the complexity of their behavior,…
Computationally solving the equations of elasticity is a key component in many materials science and mechanics simulations. Phenomena such as deformation-induced microstructure evolution, microfracture, and microvoid nucleation are examples…
We propose a hybrid method, the Neural Enrichment Finite Element Method (NEFEM), designed for problems involving strong oscillations or interface problems with weak discontinuities. This method is based on the stable generalized finite…
In this article, we present a new unified finite element method (UFEM) for simulation of general Fluid-Structure interaction (FSI) which has the same generality and robustness as monolithic methods but is significantly more computationally…
We present a Quality by Design (QbD) styled approach for optimizing lipid nanoparticle (LNP) formulations, aiming to offer scientists an accessible workflow. The inherent restriction in these studies, where the molar ratios of ionizable,…
The so-called matrix-element method (MEM) has long been used successfully as a classification tool in particle physics searches. In the presence of invisible final state particles, the traditional MEM typically assigns probabilities to an…
This work presents a finite element method for simulating dynamic processes that involve the coupled evolution of dislocation motion and crack propagation. The method numerically solves the Concurrent Atomistic-Continuum (CAC) formulation…
We introduce new numerical integration operators which compose the mass and stiffness matrices of a modified spectral element method for simulation of elastic wave propagation. While these operators use the same quadrature nodes as does the…
Nuclear power is a significant source of electricity in the United States, but the average U.S. nuclear power plant is around 40 years old. Safe management of spent nuclear fuel (SNF) is a crucial aspect of the back end of the nuclear fuel…
An overall objective of energy efficiency in the built environment is to improve building and systems performances in terms of durability, comfort and economics. In order to predict, improve and meet a certain set of performance…
In order to enhance safety, nuclear reactors in the design phase consider natural circulation as a mean to remove residual power. The simulation of this passive mechanism must be qualified between the validation range and the scope of…
This work describes a novel simulation approach that combines machine learning and device modelling simulations. The device simulations are based on the quantum mechanical non-equilibrium Greens function (NEGF) approach and the machine…
The development of nuclear reactors that utilize pebble fuel has drastically increased the demand for improving the capabilities to simulate the packed beds found in these reactors. The complex flow fields found in a pebble bed make…
Here we report the development of SPRAY, a massively parallel GPU accelerated, smoothed particle hydrodynamics (SPH)-based, radiation hydrodynamics (RHD) code designed specifically for simulating high intensity laser-plasma interactions.…
In this paper, a hybrid quasi-static atomistic simulation method at finite temperature is developed, which combines the advantages of MD for thermal equilibrium and atomic-scale finite element method (AFEM) for efficient equilibration. Some…